1-morpholin-4-yl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-morpholin-4-yl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-morpholino-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(4-morpholinyl)-2-[4-(4-thieno[3,2-d]pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-morpholino-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanone Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC=NC4=C3SC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C3=NC=NC4=C3SC=C4

InChI

InChI=1S/C16H21N5O2S/c22-14(20-6-8-23-9-7-20)11-19-2-4-21(5-3-19)16-15-13(1-10-24-15)17-12-18-16/h1,10,12H,2-9,11H2/p+1